N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C21H26N4O2S — CID 9372310

About N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 9372310) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• PubChem CID: 9372310
• Molecular Formula: C21H26N4O2S
• Molecular Weight: 398.53 g/mol
• Exact Mass: 398.18
• IUPAC Name: N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
• SMILES: CCCN(CC(=O)Nc1ccc(C(C)C)cc1)Cc1nnc(-c2cccs2)o1
• InChI: InChI=1S/C21H26N4O2S/c1-4-11-25(14-20-23-24-21(27-20)18-6-5-12-28-18)13-19(26)22-17-9-7-16(8-10-17)15(2)3/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,22,26)
• InChIKey: SDCWNZWCYVWUJS-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.53
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

The IUPAC name of N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 9372310) is N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

The canonical SMILES for N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)Nc1ccc(C(C)C)cc1)Cc1nnc(-c2cccs2)o1.

What is the InChIKey of N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

The InChIKey is SDCWNZWCYVWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-4-11-25(14-20-23-24-21(27-20)18-6-5-12-28-18)13-19(26)22-17-9-7-16(8-10-17)15(2)3/h5-10,12,15H,4,11,13-14H2,1-3H3,(H,22,26).

What are the key properties of N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?

N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 398.53 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9372310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).